ergo
integrals_2el_J_kernel.cc File Reference

Code for computational kernel for computing the Coulomb matrix J. More...

Functions

static void transfer_to_result_J_list (int nBatchs, const std::vector< batch_struct > &batchList, const std::vector< basis_func_pair_struct > &basisFuncPairList, const std::vector< ergo_real > &result_J_list_local, ergo_real *result_J_list)
 
static void transfer_to_resultMatContrib (int nBatchs, const std::vector< batch_struct > &batchList, const std::vector< basis_func_pair_struct > &basisFuncPairList, const ergo_real *result_J_list_local, ResultMatContrib *resultMatContrib)
 
int get_J_contribs_from_2_interacting_boxes (const IntegralInfo &integralInfo, ergo_real *result_J_list, ResultMatContrib *resultMatContrib, const distr_org_struct &distr_org_struct_1, const distr_org_struct &distr_org_struct_2, int interactionWithSelf, ergo_real threshold, JK_contribs_buffer_struct *bufferStructPtr)
 

Detailed Description

Code for computational kernel for computing the Coulomb matrix J.

Author
: Elias Rudberg responsible.

Function Documentation

◆ get_J_contribs_from_2_interacting_boxes()

◆ transfer_to_result_J_list()

static void transfer_to_result_J_list ( int  nBatchs,
const std::vector< batch_struct > &  batchList,
const std::vector< basis_func_pair_struct > &  basisFuncPairList,
const std::vector< ergo_real > &  result_J_list_local,
ergo_real result_J_list 
)
static

◆ transfer_to_resultMatContrib()

static void transfer_to_resultMatContrib ( int  nBatchs,
const std::vector< batch_struct > &  batchList,
const std::vector< basis_func_pair_struct > &  basisFuncPairList,
const ergo_real result_J_list_local,
ResultMatContrib resultMatContrib 
)
static